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144075-09-2 | 1,3-Dioxane, 2-(9-anthracenyl)-
CAS No: 144075-09-2 Catalog No: AG001IUX MDL No:
Product Description
Catalog Number:
AG001IUX
Chemical Name:
1,3-Dioxane, 2-(9-anthracenyl)-
CAS Number:
144075-09-2
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
2-anthracen-9-yl-1,3-dioxane
InChI:
InChI=1S/C18H16O2/c1-3-8-15-13(6-1)12-14-7-2-4-9-16(14)17(15)18-19-10-5-11-20-18/h1-4,6-9,12,18H,5,10-11H2
InChI Key:
HKNPOLCOMCDOBW-UHFFFAOYSA-N
SMILES:
C1COC(OC1)c1c2ccccc2cc2c1cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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